N4-(3-methoxyphenyl)-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(3-methoxyphenyl)-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(3-methoxyphenyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine CAS Name: N4-(3-methoxyphenyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(3-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(m-anisidino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C18H16F3N5O2 MolecularWeight: 391.34715

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H16F3N5O2/c1-27-14-4-2-3-12(9-14)26-17-15(22)16(23-10-24-17)25-11-5-7-13(8-6-11)28-18(19,20)21/h2-10H,22H2,1H3,(H2,23,24,25,26)